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KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking

Overview of attention for article published in Journal of Cheminformatics, April 2018
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Title
KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking
Published in
Journal of Cheminformatics, April 2018
DOI 10.1186/s13321-018-0274-y
Pubmed ID
Authors

Aeri Lee, Seungpyo Hong, Dongsup Kim

Abstract

Kinases are major targets of anti-cancer therapies owing to their importance in signaling processes that regulate cell growth and proliferation. However, drug resistance has emerged as a major obstacle to cancer therapy. Resistance to drugs has various underlying mechanisms, including the acquisition of mutations at drug binding sites and the resulting reduction in drug binding affinity. Therefore, the identification of mutations that are relevant to drug resistance may be useful to overcome this issue. We hypothesized that these mutations can be identified by combining recent advances in computational methods for protein structure modeling and ligand docking simulation. Hence, we developed a web-based tool named the Kinase Resistance Docking System (KRDS) that enables the assessment of the effects of mutations on kinase-ligand interactions. KRDS receives a list of mutations in kinases, generates structural models of the mutants, performs docking simulations, and reports the results to users. The changes in docking scores and docking conformations can be analyzed to infer the effects of mutations on drug binding and drug resistance. We expect our tool to improve our understanding of drug binding mechanisms and facilitate the development of effective new drugs to overcome resistance related to kinases; it may be particularly useful for biomedical researchers who are not familiar with computational environments. Our tool is available at http://bcbl.kaist.ac.kr/KRDS/ .

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X Demographics

The data shown below were collected from the profiles of 7 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 16 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 16 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 4 25%
Student > Bachelor 2 13%
Student > Ph. D. Student 2 13%
Student > Doctoral Student 1 6%
Professor 1 6%
Other 2 13%
Unknown 4 25%
Readers by discipline Count As %
Chemistry 4 25%
Agricultural and Biological Sciences 3 19%
Biochemistry, Genetics and Molecular Biology 2 13%
Neuroscience 1 6%
Medicine and Dentistry 1 6%
Other 0 0%
Unknown 5 31%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 4. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 01 May 2018.
All research outputs
#8,036,102
of 25,576,275 outputs
Outputs from Journal of Cheminformatics
#612
of 974 outputs
Outputs of similar age
#129,823
of 343,739 outputs
Outputs of similar age from Journal of Cheminformatics
#14
of 21 outputs
Altmetric has tracked 25,576,275 research outputs across all sources so far. This one has received more attention than most of these and is in the 67th percentile.
So far Altmetric has tracked 974 research outputs from this source. They typically receive more attention than average, with a mean Attention Score of 10.0. This one is in the 36th percentile – i.e., 36% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 343,739 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 61% of its contemporaries.
We're also able to compare this research output to 21 others from the same source and published within six weeks on either side of this one. This one is in the 33rd percentile – i.e., 33% of its contemporaries scored the same or lower than it.